for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Hydrochlorothiazid- 13 C,d 2 is the 13 C- and deuterium labeled Hydrochlorothiazide. Hydrochlorothiazide (HCTZ), an orally active diuretic agent of the thiazide class, inhibits transforming TGF-β/Smad signaling pathway. Hydrochlorothiazide has direct vascular relaxant effects via opening of the calcium-activated potassium (KCA) channel. Hydrochlorothiazide improves cardiac function, reduces fibrosis and has antihypertensive effect.
In Vitro
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs [71] . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Canonical Smiles | C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl |
|---|---|
| IUPAC Name | 6-chloro-3,3-dideuterio-1,1-dioxo-2,4-dihydro-1\u03bb6,2,4-benzothiadiazine-7-sulfonamide |
| InChIKey | JZUFKLXOESDKRF-QFNKQLDQSA-N |
| INCHI | 1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)/i3+1D2 |
| Isomeric SMILES | [2H][13C]1(NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H] |
| Alternate CAS | 1190006-03-1 |
| Molecular Weight | 300.74 |
| Reaxy-Rn | 625101 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=625101&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiadiazines |
| Subclass | Benzothiadiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
| Alternative Parents | Secondary alkylarylamines Organosulfonamides Benzenoids Aryl chlorides Aminosulfonyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2,4-benzothiadiazine-1,1-dioxide - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary amine - Azacycle - Amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position. |
| External Descriptors | Not available |
